./iterations/neb0_image05_iter200.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@Columns AsymmetricAtom
	AtomicNumber	int	0
	Connections	string	{{}}
	Fractional	double	{{0.0 0.0 0.0}}
	Name	string	{{}}
	Site	int	1
	WyckoffPosition	int	-1
@end
@data
8 {} {0.474377024409 0.244184908499 0.489272153248} O1 1 1
14 {} {0.326884751403 0.226979935764 0.562317161245} Si1 2 1
14 {} {0.60165133592 0.343476305199 0.467637507915} Si2 3 1
8 {} {0.5587990213 0.498864363814 0.498476868454} O2 4 1
8 {} {0.280605094784 0.362791890178 0.639779895224} O3 5 1
14 {} {0.244043412077 0.522317264531 0.662660042915} Si3 6 1
14 {} {0.564157867188 0.65439455427 0.443067202542} Si4 7 1
1 {} {0.338570375827 0.116758975891 0.66114158826} H1 8 1
1 {} {0.225772207328 0.192247300926 0.45917875436} H2 9 1
1 {} {0.644642946308 0.336815885193 0.325659129211} H3 10 1
1 {} {0.710415565456 0.306806468563 0.563962564612} H4 11 1
1 {} {0.13399471612 0.521945605415 0.764548179686} H5 12 1
1 {} {0.369142745382 0.597048785057 0.70433020179} H6 13 1
1 {} {0.476773028919 0.730697347825 0.539170920979} H7 14 1
1 {} {0.509837797041 0.664907819888 0.302523500558} H8 15 1
1 {} {0.703897023778 0.705580662999 0.44044781119} H10 16 1
8 {} {0.18736148265 0.596976314851 0.524955394328} O 17 1
1 {} {0.25915961341 0.6497235984 0.481929294139} H14 18 1
@end
@Columns Cell
	Constraints	string	{a b c A B G}
	Origin	int	{{0 0 0}}
	Parameters	double	{{10.0 10.0 10.0 90.0 90.0 90.0}}
	PrimitiveData	double	{{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}}
	RotationMatrix	double	{{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}}
	SpaceGroup	string	P1
	SpaceGroupNumber	int	1
	ToCartesians	double	{{{10.0 0.0 0.0} {0.0 10.0 0.0} {0.0 0.0 10.0}}}
	ToFractionals	double	{{{0.10000000000000001 0.0 0.0} {0.0 0.10000000000000001 0.0} {0.0 0.0 0.10000000000000001}}}
@end
@data
{a b c A B G} {0 0 0} {10 10 10 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{10 0 0} {0 10 0} {0 0 10}} {{0.1 0 0} {0 0.1 0} {0 0 0.1}}
@end
@Columns AsymmetricBond
	Atom1	reference	AsymmetricAtom
	Atom2	reference	AsymmetricAtom
	Key	int	0
	Order	int	0
@end
@data
1 0 0 0
2 0 0 0
14 6 0 0
16 5 0 2
15 6 0 0
4 1 0 0
3 2 0 0
7 1 0 0
8 1 0 0
6 3 0 0
5 4 0 0
10 2 0 0
9 2 0 0
@end
@Columns Bond
	AsymmetricBond	reference	AsymmetricBond
	Atom1	reference	Atom
	Atom2	reference	Atom
	CellOffset2	int	{{0 0 0}}
	Key	int	0
@end
@data
0 0 1 {0 0 0} 0
1 0 2 {0 0 0} 0
2 14 6 {0 0 0} 0
3 16 5 {0 0 0} 0
4 15 6 {0 0 0} 0
5 4 1 {0 0 0} 0
6 3 2 {0 0 0} 0
7 7 1 {0 0 0} 0
8 8 1 {0 0 0} 0
9 6 3 {0 0 0} 0
10 5 4 {0 0 0} 0
11 10 2 {0 0 0} 0
12 9 2 {0 0 0} 0
@end
@Columns Subset
	Color	string	{{#65d9f0}}
	Criteria	string	{{}}
	DisplayLine	int	0
	IeqJ	int	1
	IgtJ	int	0
	IltJ	int	0
	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end